2-[4-[(4-butoxyphenyl)methyl]piperazin-1-yl]-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)ethanamide

Systemtic Name: 2-[4-[(4-butoxyphenyl)methyl]piperazin-1-yl]-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)ethanamide Openeye Name: 2-[4-[(4-butoxyphenyl)methyl]piperazin-1-yl]-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)acetamide CAS Name: 2-[4-[(4-butoxyphenyl)methyl]-1-piperazinyl]-N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)acetamide IUPAC Name: 2-[4-[(4-butoxyphenyl)methyl]piperazin-1-yl]-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide Traditional Name: 2-[4-(4-butoxybenzyl)piperazino]-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)acetamide Formula: C25H34N4O2S MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=C(C(=C(S3)C)CC)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=C(C(=C(S3)C)CC)C#N

InChI

InChI=1S/C25H34N4O2S/c1-4-6-15-31-21-9-7-20(8-10-21)17-28-11-13-29(14-12-28)18-24(30)27-25-23(16-26)22(5-2)19(3)32-25/h7-10H,4-6,11-15,17-18H2,1-3H3,(H,27,30)